N-(3-methoxyphenyl)-6-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine-3-carboxamide

C18H18F3N3O2 — CID 25176421

IUPACN-(3-methoxyphenyl)-6-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cnc(N3CCCC3)c(C(F)(F)F)c2)c1
InChIInChI=1S/C18H18F3N3O2/c1-26-14-6-4-5-13(10-14)23-17(25)12-9-15(18(19,20)21)16(22-11-12)24-7-2-3-8-24/h4-6,9-11H,2-3,7-8H2,1H3,(H,23,25)
InChIKeyDBULYIKPPAKMMN-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.96
Rot. Bonds4

About N-(3-methoxyphenyl)-6-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine-3-carboxamide

N-(3-methoxyphenyl)-6-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 25176421) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-6-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-6-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID25176421
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC NameN-(3-methoxyphenyl)-6-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cnc(N3CCCC3)c(C(F)(F)F)c2)c1
InChIInChI=1S/C18H18F3N3O2/c1-26-14-6-4-5-13(10-14)23-17(25)12-9-15(18(19,20)21)16(22-11-12)24-7-2-3-8-24/h4-6,9-11H,2-3,7-8H2,1H3,(H,23,25)
InChIKeyDBULYIKPPAKMMN-UHFFFAOYSA-N
XLogP3.96
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-6-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-6-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine-3-carboxamide (CID 25176421) is N-(3-methoxyphenyl)-6-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-6-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-6-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine-3-carboxamide is COc1cccc(NC(=O)c2cnc(N3CCCC3)c(C(F)(F)F)c2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-6-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is DBULYIKPPAKMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c1-26-14-6-4-5-13(10-14)23-17(25)12-9-15(18(19,20)21)16(22-11-12)24-7-2-3-8-24/h4-6,9-11H,2-3,7-8H2,1H3,(H,23,25).
What are the key properties of N-(3-methoxyphenyl)-6-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine-3-carboxamide?
N-(3-methoxyphenyl)-6-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-6-pyrrolidin-1-yl-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 25176421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).